2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane

C14H24O — CID 19780777

IUPAC2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
SMILESC=C1C2CCC(C)(OC)C1CCC2(C)C
InChIInChI=1S/C14H24O/c1-10-11-7-9-14(4,15-5)12(10)6-8-13(11,2)3/h11-12H,1,6-9H2,2-5H3
InChIKeySCWCQOUPVCAQJQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.79
Rot. Bonds1

About 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane

2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane (PubChem CID 19780777) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
PubChem CID19780777
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
SMILESC=C1C2CCC(C)(OC)C1CCC2(C)C
InChIInChI=1S/C14H24O/c1-10-11-7-9-14(4,15-5)12(10)6-8-13(11,2)3/h11-12H,1,6-9H2,2-5H3
InChIKeySCWCQOUPVCAQJQ-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane?
The IUPAC name of 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane (CID 19780777) is 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane.
What is the SMILES notation for 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane?
The canonical SMILES for 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane is C=C1C2CCC(C)(OC)C1CCC2(C)C.
What is the InChIKey of 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane?
The InChIKey is SCWCQOUPVCAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-11-7-9-14(4,15-5)12(10)6-8-13(11,2)3/h11-12H,1,6-9H2,2-5H3.
What are the key properties of 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane?
2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane has a molecular weight of 208.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane is sourced from PubChem (CID 19780777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).